2021-07-14T14:37:37,233 Created temporary directory: /tmp/pip-ephem-wheel-cache-5v8a6o2k
2021-07-14T14:37:37,236 Created temporary directory: /tmp/pip-req-tracker-gs70m_2n
2021-07-14T14:37:37,236 Initialized build tracking at /tmp/pip-req-tracker-gs70m_2n
2021-07-14T14:37:37,236 Created build tracker: /tmp/pip-req-tracker-gs70m_2n
2021-07-14T14:37:37,236 Entered build tracker: /tmp/pip-req-tracker-gs70m_2n
2021-07-14T14:37:37,237 Created temporary directory: /tmp/pip-wheel-cdya577n
2021-07-14T14:37:37,266 1 location(s) to search for versions of gromacs-py:
2021-07-14T14:37:37,266 * https://pypi.org/simple/gromacs-py/
2021-07-14T14:37:37,267 Fetching project page and analyzing links: https://pypi.org/simple/gromacs-py/
2021-07-14T14:37:37,267 Getting page https://pypi.org/simple/gromacs-py/
2021-07-14T14:37:37,269 Found index url https://pypi.org/simple
2021-07-14T14:37:37,461   Found link https://files.pythonhosted.org/packages/81/19/aa84c354170f3da5036b2aa34fa95f328ee3b45a094cc2bfe706c21c0526/gromacs_py-1.0.tar.gz#sha256=197044e70905dcc36bf134f402687088ce3f68307545dd9a724a12d110a0e5c1 (from https://pypi.org/simple/gromacs-py/), version: 1.0
2021-07-14T14:37:37,462   Found link https://files.pythonhosted.org/packages/ea/c2/02fafcd4fd0eb34015e76700fa471653c613ee58c8931c0c06c4453b9b99/gromacs_py-1.0.0.post1.tar.gz#sha256=41ab83f8a5e541ebb3e422c398dea77e06411a9a015605733c2a4bc64d639d73 (from https://pypi.org/simple/gromacs-py/), version: 1.0.0.post1
2021-07-14T14:37:37,462   Found link https://files.pythonhosted.org/packages/ac/24/d8cff1d35512873e821972103480ed8133bdd0b670dee7520e40a167ff7f/gromacs_py-1.0.0.post2.tar.gz#sha256=16dc1ed4b0a32f1decb4f26065c67a60e67a5845f5bbe54d31c4a8016c95254b (from https://pypi.org/simple/gromacs-py/), version: 1.0.0.post2
2021-07-14T14:37:37,462   Found link https://files.pythonhosted.org/packages/05/69/2ee04de7229b6a6f33033fdf6c1f3a69f7da76383ac8d488db94698cb3a0/gromacs_py-1.0.0.post3.tar.gz#sha256=c270fb4a29b2b369c8b9b0f2f0d58742d72a472ce8f51051b51ea5fc3c122934 (from https://pypi.org/simple/gromacs-py/), version: 1.0.0.post3
2021-07-14T14:37:37,463   Skipping link: unsupported archive format: .egg: https://files.pythonhosted.org/packages/38/22/84351d37feae9720f5193332d4e43f4f948a57b1bf3cac69675aa8eb255a/gromacs_py-1.0.0.post4-py3.6.egg#sha256=9cbe818f3b60fb2818b196041ecd5d711615b3e4063045707168588825e8accd (from https://pypi.org/simple/gromacs-py/)
2021-07-14T14:37:37,463   Found link https://files.pythonhosted.org/packages/a3/5b/afe1e0db10bcacbf20f6971f0a49c08bf37216f00869f699a0afd9a2017d/gromacs_py-1.0.0.post4.tar.gz#sha256=bbedcd55b4a808101681cae97bbf788274fe62de506c95042ac86c54a3358d08 (from https://pypi.org/simple/gromacs-py/), version: 1.0.0.post4
2021-07-14T14:37:37,463   Found link https://files.pythonhosted.org/packages/66/7e/255d8971aae057beacc0776bc07d530d36a723bb280607ac2a33073f83b6/gromacs_py-1.0.0.post5.tar.gz#sha256=c3d93bea02a2f98164b9a7a9af501e9240d427ba8dd5ebfd7238cb1a444edec1 (from https://pypi.org/simple/gromacs-py/), version: 1.0.0.post5
2021-07-14T14:37:37,464   Found link https://files.pythonhosted.org/packages/bf/8c/cf1548e9150167b6d5f7dc940e3cab18a83aec53aab827d3c5fe73401601/gromacs_py-1.0.1.tar.gz#sha256=3283cef19e0a6b929b2ada9a2bfd2498569b862a079e32c992d78535836331cc (from https://pypi.org/simple/gromacs-py/), version: 1.0.1
2021-07-14T14:37:37,464   Found link https://files.pythonhosted.org/packages/70/08/73aeaa8177240841aab5cffa4a4ef452545e1bf04547d5a4483352538344/gromacs_py-1.0.2.tar.gz#sha256=512f3bee4dcd19217790d2ce966f80e67c8b80306d899245d5c99fdeab14ee13 (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.0), version: 1.0.2
2021-07-14T14:37:37,465   Found link https://files.pythonhosted.org/packages/45/77/1bb7c3a946f35d6774c2708aa95161e687bae1944d23233f1af8a5f938c8/gromacs_py-1.0.3.tar.gz#sha256=f6d2e2c66ab3ca6c38e677f211ad6c531eef78c7e3a00dbb97febd91ff6804e6 (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.0), version: 1.0.3
2021-07-14T14:37:37,483   Found link https://files.pythonhosted.org/packages/55/df/fac3d7efdc0e9154c85bf00cf8ef849350b87cb03196a93ce8df324c6b94/gromacs_py-1.1.1-py2.py3-none-any.whl#sha256=daf5827e6f70db22a0a9d17d490407bb4fe815ebead7712e9a6b4f5b3db2f936 (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 1.1.1
2021-07-14T14:37:37,483   Found link https://files.pythonhosted.org/packages/ea/b2/4df3300c1554b1c038d2c4b99b78a8387595823e720f1002b6b5be995b8d/gromacs_py-1.1.1.tar.gz#sha256=4c8c9be844e027637f1666e8760955df264af13482bfd43be9263065433de6ed (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 1.1.1
2021-07-14T14:37:37,484   Found link https://files.pythonhosted.org/packages/12/4b/e41a048f735c500dc27bb438fcefbcaed25076c825155736488845dcec0b/gromacs_py-1.2.0-py2.py3-none-any.whl#sha256=891d7703708379a470fd9215abbe10d2ac0b0978687fc93f128e60d78217732a (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 1.2.0
2021-07-14T14:37:37,485   Found link https://files.pythonhosted.org/packages/0c/65/477b99b12bb2131517df60d8f19b1658296d06e653f38f29b68da56759fb/gromacs_py-1.2.0.tar.gz#sha256=d52bdb4dfd48ab1a274748675ca00a573c19d7f1cbbba7cb2b8d75600863e1de (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 1.2.0
2021-07-14T14:37:37,486   Found link https://files.pythonhosted.org/packages/b1/2f/a872aebbd418d6815539d1ba5c39004a1bcf2f940fdbc81eeb9078bcbc0a/gromacs_py-1.2.1-py2.py3-none-any.whl#sha256=01745a0b77239aea292b9320d580f07a12a2b700853d53a60316996282a796d7 (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 1.2.1
2021-07-14T14:37:37,486   Found link https://files.pythonhosted.org/packages/a2/70/134395352d57149d5045a6acd5e289dba02b5aa4faddceb933c04ee2b7f9/gromacs_py-1.2.1.tar.gz#sha256=4aaeea58259d2fa7ac184f086d8910dd3e1667b5e55ac9fb8838dec401f15640 (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 1.2.1
2021-07-14T14:37:37,487   Found link https://files.pythonhosted.org/packages/d8/03/ba13a4778298f6786db7bdc60750dceba7d41bf387b76ec3f20b7606f053/gromacs_py-2.0.0-py3-none-any.whl#sha256=acdaf00fe19c20e987e6f2182578f8e896c2988ef815e3ca63ab3bc9d119db46 (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 2.0.0
2021-07-14T14:37:37,488   Found link https://files.pythonhosted.org/packages/1b/6d/6de42d5fccfbe4a5f022f4343da420020966e7c24878a45daff09c34d1bf/gromacs_py-2.0.0.tar.gz#sha256=1781021d8f47bb056a74b08fa15f2cb40463bfde237ddfe6a834e0bf3d357bcc (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 2.0.0
2021-07-14T14:37:37,489   Found link https://files.pythonhosted.org/packages/0e/84/3ab6a011a97002c1352176e0c0d0146e2f9fbd0820cdbb7bce53f57ae907/gromacs_py-2.0.1-py3-none-any.whl#sha256=6a7d7e5d5cb9572403a7caf63cee6c3ee3bcf6c5c48b3f8f62424db68f9420cb (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 2.0.1
2021-07-14T14:37:37,489   Found link https://files.pythonhosted.org/packages/90/9c/31f313ea242d15b2f2eb695aab90aa8c994bb5435ea0c78c2a3e2a145aa2/gromacs_py-2.0.1.tar.gz#sha256=cf87953b770e7e622a57374965d62c450d8fe04dad7ba60b8c2776d80df86fab (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 2.0.1
2021-07-14T14:37:37,490   Found link https://files.pythonhosted.org/packages/b7/84/b34cc1716a7175cfc46f02ba3b6e2cb4487bad97e161c943226cf575c3a7/gromacs_py-2.0.2-py3-none-any.whl#sha256=882806d1d32afde9e024bda719d358a51d8a4aa8a34f22d7576748404398b4aa (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 2.0.2
2021-07-14T14:37:37,491   Found link https://files.pythonhosted.org/packages/5b/33/f66781d1f2507d01168ee4033968e807ecac402dbe7965b824abfc123a84/gromacs_py-2.0.2.tar.gz#sha256=8cfa15759de5fec06679da00817f00681d7528fa8e287e965864da2c30082f1a (from https://pypi.org/simple/gromacs-py/) (requires-python:>=3.5), version: 2.0.2
2021-07-14T14:37:37,491 Skipping link: not a file: https://pypi.org/simple/gromacs-py/
2021-07-14T14:37:37,495 Given no hashes to check 1 links for project 'gromacs-py': discarding no candidates
2021-07-14T14:37:37,517 Collecting gromacs-py==1.0.0.post2
2021-07-14T14:37:37,519   Created temporary directory: /tmp/pip-unpack-kvxw6z1l
2021-07-14T14:37:38,141   Downloading gromacs_py-1.0.0.post2.tar.gz (944 kB)
2021-07-14T14:37:38,651   Added gromacs-py==1.0.0.post2 from https://files.pythonhosted.org/packages/ac/24/d8cff1d35512873e821972103480ed8133bdd0b670dee7520e40a167ff7f/gromacs_py-1.0.0.post2.tar.gz#sha256=16dc1ed4b0a32f1decb4f26065c67a60e67a5845f5bbe54d31c4a8016c95254b to build tracker '/tmp/pip-req-tracker-gs70m_2n'
2021-07-14T14:37:38,652     Running setup.py (path:/tmp/pip-wheel-cdya577n/gromacs-py_b5f8f73163e34bbfabd92f6a5dfaf233/setup.py) egg_info for package gromacs-py
2021-07-14T14:37:38,653     Created temporary directory: /tmp/pip-pip-egg-info-mg3hsjoq
2021-07-14T14:37:38,653     Running command python setup.py egg_info
2021-07-14T14:37:42,239     Traceback (most recent call last):
2021-07-14T14:37:42,240       File "<string>", line 1, in <module>
2021-07-14T14:37:42,240       File "/tmp/pip-wheel-cdya577n/gromacs-py_b5f8f73163e34bbfabd92f6a5dfaf233/setup.py", line 11, in <module>
2021-07-14T14:37:42,240         import gromacs_py
2021-07-14T14:37:42,240       File "/tmp/pip-wheel-cdya577n/gromacs-py_b5f8f73163e34bbfabd92f6a5dfaf233/gromacs_py/__init__.py", line 10, in <module>
2021-07-14T14:37:42,241         from gromacs_py.gromacs.gmx5 import TopSys, Itp, TopMol, GmxSys
2021-07-14T14:37:42,241       File "/tmp/pip-wheel-cdya577n/gromacs-py_b5f8f73163e34bbfabd92f6a5dfaf233/gromacs_py/gromacs/gmx5.py", line 24, in <module>
2021-07-14T14:37:42,241         from .tools import pdb2pqr
2021-07-14T14:37:42,241       File "/tmp/pip-wheel-cdya577n/gromacs-py_b5f8f73163e34bbfabd92f6a5dfaf233/gromacs_py/gromacs/tools/pdb2pqr.py", line 27, in <module>
2021-07-14T14:37:42,241         PDB2PQR_BIN = os_command.which('pdb2pqr.py','pdb2pqr_cli')
2021-07-14T14:37:42,242       File "/tmp/pip-wheel-cdya577n/gromacs-py_b5f8f73163e34bbfabd92f6a5dfaf233/gromacs_py/gromacs/tools/os_command.py", line 54, in which
2021-07-14T14:37:42,242         raise IOError("program not found :", program_list)
2021-07-14T14:37:42,242     OSError: [Errno program not found :] ('pdb2pqr.py', 'pdb2pqr_cli')
2021-07-14T14:37:42,243     program not found !!
2021-07-14T14:37:42,493 WARNING: Discarding https://files.pythonhosted.org/packages/ac/24/d8cff1d35512873e821972103480ed8133bdd0b670dee7520e40a167ff7f/gromacs_py-1.0.0.post2.tar.gz#sha256=16dc1ed4b0a32f1decb4f26065c67a60e67a5845f5bbe54d31c4a8016c95254b (from https://pypi.org/simple/gromacs-py/). Command errored out with exit status 1: python setup.py egg_info Check the logs for full command output.
2021-07-14T14:37:42,495 ERROR: Could not find a version that satisfies the requirement gromacs-py==1.0.0.post2 (from versions: 1.0, 1.0.0.post1, 1.0.0.post2, 1.0.0.post3, 1.0.0.post4, 1.0.0.post5, 1.0.1, 1.0.2, 1.0.3, 1.1.1, 1.2.0, 1.2.1, 2.0.0, 2.0.1, 2.0.2)
2021-07-14T14:37:42,495 ERROR: No matching distribution found for gromacs-py==1.0.0.post2
2021-07-14T14:37:42,495 Exception information:
2021-07-14T14:37:42,495 Traceback (most recent call last):
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_vendor/resolvelib/resolvers.py", line 341, in resolve
2021-07-14T14:37:42,495     name, crit = self._merge_into_criterion(r, parent=None)
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_vendor/resolvelib/resolvers.py", line 173, in _merge_into_criterion
2021-07-14T14:37:42,495     raise RequirementsConflicted(criterion)
2021-07-14T14:37:42,495 pip._vendor.resolvelib.resolvers.RequirementsConflicted: Requirements conflict: SpecifierRequirement('gromacs-py==1.0.0.post2')
2021-07-14T14:37:42,495 
2021-07-14T14:37:42,495 During handling of the above exception, another exception occurred:
2021-07-14T14:37:42,495 
2021-07-14T14:37:42,495 Traceback (most recent call last):
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_internal/resolution/resolvelib/resolver.py", line 127, in resolve
2021-07-14T14:37:42,495     result = self._result = resolver.resolve(
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_vendor/resolvelib/resolvers.py", line 473, in resolve
2021-07-14T14:37:42,495     state = resolution.resolve(requirements, max_rounds=max_rounds)
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_vendor/resolvelib/resolvers.py", line 343, in resolve
2021-07-14T14:37:42,495     raise ResolutionImpossible(e.criterion.information)
2021-07-14T14:37:42,495 pip._vendor.resolvelib.resolvers.ResolutionImpossible: [RequirementInformation(requirement=SpecifierRequirement('gromacs-py==1.0.0.post2'), parent=None)]
2021-07-14T14:37:42,495 
2021-07-14T14:37:42,495 The above exception was the direct cause of the following exception:
2021-07-14T14:37:42,495 
2021-07-14T14:37:42,495 Traceback (most recent call last):
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_internal/cli/base_command.py", line 180, in _main
2021-07-14T14:37:42,495     status = self.run(options, args)
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_internal/cli/req_command.py", line 205, in wrapper
2021-07-14T14:37:42,495     return func(self, options, args)
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_internal/commands/wheel.py", line 142, in run
2021-07-14T14:37:42,495     requirement_set = resolver.resolve(
2021-07-14T14:37:42,495   File "/home/piwheels/.local/lib/python3.9/site-packages/pip/_internal/resolution/resolvelib/resolver.py", line 136, in resolve
2021-07-14T14:37:42,495     raise error from e
2021-07-14T14:37:42,495 pip._internal.exceptions.DistributionNotFound: No matching distribution found for gromacs-py==1.0.0.post2
2021-07-14T14:37:42,501 Removed gromacs-py==1.0.0.post2 from https://files.pythonhosted.org/packages/ac/24/d8cff1d35512873e821972103480ed8133bdd0b670dee7520e40a167ff7f/gromacs_py-1.0.0.post2.tar.gz#sha256=16dc1ed4b0a32f1decb4f26065c67a60e67a5845f5bbe54d31c4a8016c95254b from build tracker '/tmp/pip-req-tracker-gs70m_2n'
2021-07-14T14:37:42,501 Removed build tracker: '/tmp/pip-req-tracker-gs70m_2n'